Compile Data Set for Download or QSAR
Report error Found 46 Enz. Inhib. hit(s) with all data for entry = 50019540
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM2483(Sustiva | DMP-266 | (4S)-6-chloro-4-(2-cyclopropyl...)
Affinity DataIC50: 10nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50103642(CHEMBL308954 | TMC-125 | TMC 125 | 4-(6-amino-5-br...)
Affinity DataIC50: 11nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 47nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620293(CHEMBL5431692)
Affinity DataIC50: 57nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620313(CHEMBL5429798)
Affinity DataIC50: 70nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620312(CHEMBL5403361)
Affinity DataIC50: 71nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620311(CHEMBL5424039)
Affinity DataIC50: 84nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620296(CHEMBL5436945)
Affinity DataIC50: 123nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620295(CHEMBL5410294)
Affinity DataIC50: 126nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 128nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620304(CHEMBL5424824)
Affinity DataIC50: 146nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620300(CHEMBL5423202)
Affinity DataIC50: 154nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620308(CHEMBL5437574)
Affinity DataIC50: 154nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620309(CHEMBL5419445)
Affinity DataIC50: 161nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620305(CHEMBL5433492)
Affinity DataIC50: 169nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50207551(CHEMBL3977345)
Affinity DataIC50: 174nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620307(CHEMBL5403961)
Affinity DataIC50: 180nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620298(CHEMBL5427832)
Affinity DataIC50: 180nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620301(CHEMBL5414646)
Affinity DataIC50: 207nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620306(CHEMBL5409892)
Affinity DataIC50: 211nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620294(CHEMBL5411966)
Affinity DataIC50: 225nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620297(CHEMBL5401976)
Affinity DataIC50: 234nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620299(CHEMBL5412399)
Affinity DataIC50: 236nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620310(CHEMBL5414542)
Affinity DataIC50: 237nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50103642(CHEMBL308954 | TMC-125 | TMC 125 | 4-(6-amino-5-br...)
Affinity DataIC50: 277nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620302(CHEMBL5425655)
Affinity DataIC50: 297nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620303(CHEMBL5411228)
Affinity DataIC50: 313nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM1434(BI-RG-587 | 2-cyclopropyl-7-methyl-2,4,9,15-tetraa...)
Affinity DataIC50: 315nMAssay Description:Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 322nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 335nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 346nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50090677(CHEMBL1109 | 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-...)
Affinity DataIC50: 487nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50103642(CHEMBL308954 | TMC-125 | TMC 125 | 4-(6-amino-5-br...)
Affinity DataIC50: 496nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 500nMAssay Description:Inhibition of hERG expressed in CHO cells at -80 mV holding potential by manual patch-clamp electrophysiology methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620313(CHEMBL5429798)
Affinity DataIC50: 1.91E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620313(CHEMBL5429798)
Affinity DataIC50: 2.06E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 3.41E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620313(CHEMBL5429798)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of hERG expressed in CHO cells at -80 mV holding potential by manual patch-clamp electrophysiology methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50103642(CHEMBL308954 | TMC-125 | TMC 125 | 4-(6-amino-5-br...)
Affinity DataIC50: 7.48E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)
Affinity DataIC50: 9.11E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50103642(CHEMBL308954 | TMC-125 | TMC 125 | 4-(6-amino-5-br...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620313(CHEMBL5429798)
Affinity DataIC50: 1.66E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620313(CHEMBL5429798)
Affinity DataIC50: 1.72E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50103642(CHEMBL308954 | TMC-125 | TMC 125 | 4-(6-amino-5-br...)
Affinity DataIC50: 4.13E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50620313(CHEMBL5429798)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed